8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one

C23H27N5O2 — CID 166603762

IUPAC8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N3CCCC(Oc4cccnc4)C3)ncc12
InChIInChI=1S/C23H27N5O2/c1-16-12-21(29)28(17-6-2-3-7-17)22-20(16)14-25-23(26-22)27-11-5-9-19(15-27)30-18-8-4-10-24-13-18/h4,8,10,12-14,17,19H,2-3,5-7,9,11,15H2,1H3
InChIKeyKHQWEXHFFFKIKK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.66
Rot. Bonds4

About 8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 166603762) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID166603762
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(=O)n(C2CCCC2)c2nc(N3CCCC(Oc4cccnc4)C3)ncc12
InChIInChI=1S/C23H27N5O2/c1-16-12-21(29)28(17-6-2-3-7-17)22-20(16)14-25-23(26-22)27-11-5-9-19(15-27)30-18-8-4-10-24-13-18/h4,8,10,12-14,17,19H,2-3,5-7,9,11,15H2,1H3
InChIKeyKHQWEXHFFFKIKK-UHFFFAOYSA-N
XLogP3.66
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one (CID 166603762) is 8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(=O)n(C2CCCC2)c2nc(N3CCCC(Oc4cccnc4)C3)ncc12.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KHQWEXHFFFKIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-12-21(29)28(17-6-2-3-7-17)22-20(16)14-25-23(26-22)27-11-5-9-19(15-27)30-18-8-4-10-24-13-18/h4,8,10,12-14,17,19H,2-3,5-7,9,11,15H2,1H3.
What are the key properties of 8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 405.50 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-methyl-2-(3-pyridin-3-yloxypiperidin-1-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 166603762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).